Vitas-M small molecule compound
9-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(tetrahydrofuran-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK876434
SMILES C=CCN1C(=S)S/C(=C\c2c(NCC3CCCO3)nc3n(c2=O)cccc3C)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H22N4O3S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S2/c1-3-8-25-20(27)16(30-21(25)29)11-15-17(22-12-14-7-5-10-28-14)23-18-13(2)6-4-9-24(18)19(15)26/h3-4,6,9,11,14,22H,1,5,7-8,10,12H2,2H3/b16-11-InChIKey
KXRKXTBCIBJDFY-WJDWOHSUSA-NSynonyms
(5Z)5((9METHYL4OXO2(OXOLAN2YLMETHYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3allyl5((9methyl4oxo2(((tetrahydrofuran2yl)methyl)amino)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
9methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)2((tetrahydrofuran2ylmethyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)NCC4CCCO4
InChI=1SC21H22N4O3S2c1382520(27)16(3021(25)29)111517(22121475102814)231813(2)64924(18)19(15)26h3469111422H15781012H22H3b1611
MFCD02977789
ZINC000001166264
ZINC000008779040
ZINC000033436243
ZINC000033436244
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